ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate

C15H19BrClNO3 — CID 107952118

IUPACethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H19BrClNO3/c1-4-21-14(19)9-18(8-10(2)3)15(20)11-5-12(16)7-13(17)6-11/h5-7,10H,4,8-9H2,1-3H3
InChIKeyYYTLPNQAZHEJMF-UHFFFAOYSA-N
MW376.68 g/mol
LogP3.76
Rot. Bonds6

About ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate

ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate (PubChem CID 107952118) has the molecular formula C15H19BrClNO3 and a molecular weight of 376.68 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
PubChem CID107952118
Molecular FormulaC15H19BrClNO3
Molecular Weight376.68 g/mol
Exact Mass375.02
IUPAC Nameethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H19BrClNO3/c1-4-21-14(19)9-18(8-10(2)3)15(20)11-5-12(16)7-13(17)6-11/h5-7,10H,4,8-9H2,1-3H3
InChIKeyYYTLPNQAZHEJMF-UHFFFAOYSA-N
XLogP3.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.68
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
CID 61105851
ethyl 2-[(3-bromo-5-chlorobenzoyl)-cyclopropylamino]acetate
CID 103826852
methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate
CID 103826884
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate
CID 61052918
2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetic acid
CID 107937807
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
CID 114559509
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868
3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 113286144
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate (CID 107952118) is ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate?
The InChIKey is YYTLPNQAZHEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO3/c1-4-21-14(19)9-18(8-10(2)3)15(20)11-5-12(16)7-13(17)6-11/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate has a molecular weight of 376.68 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 107952118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).